2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane

C22H24OSi — CID 14843833

IUPAC2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane
SMILESC=CC1CC1(Oc1ccccc1C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H24OSi/c1-5-19-17-22(19,20-12-7-6-8-13-20)23-21-14-10-9-11-18(21)15-16-24(2,3)4/h5-14,19H,1,17H2,2-4H3
InChIKeyHONZBUBDHZWCFY-UHFFFAOYSA-N
MW332.52 g/mol
LogP5.40
Rot. Bonds4

About 2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane

2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane (PubChem CID 14843833) has the molecular formula C22H24OSi and a molecular weight of 332.52 g/mol. Its IUPAC name is 2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane
PubChem CID14843833
Molecular FormulaC22H24OSi
Molecular Weight332.52 g/mol
Exact Mass332.16
IUPAC Name2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane
SMILESC=CC1CC1(Oc1ccccc1C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H24OSi/c1-5-19-17-22(19,20-12-7-6-8-13-20)23-21-14-10-9-11-18(21)15-16-24(2,3)4/h5-14,19H,1,17H2,2-4H3
InChIKeyHONZBUBDHZWCFY-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.52
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane (CID 14843833) is 2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane is C=CC1CC1(Oc1ccccc1C#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane?
The InChIKey is HONZBUBDHZWCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24OSi/c1-5-19-17-22(19,20-12-7-6-8-13-20)23-21-14-10-9-11-18(21)15-16-24(2,3)4/h5-14,19H,1,17H2,2-4H3.
What are the key properties of 2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane?
2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane has a molecular weight of 332.52 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethenyl-1-phenylcyclopropyl)oxyphenyl]ethynyl-trimethylsilane is sourced from PubChem (CID 14843833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).